4-(3-piperidin-1-ylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide

C22H29N3O4S — CID 177234140

IUPAC4-(3-piperidin-1-ylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccc(OCCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C22H29N3O4S/c23-30(27,28)21-11-5-18(6-12-21)17-24-22(26)19-7-9-20(10-8-19)29-16-4-15-25-13-2-1-3-14-25/h5-12H,1-4,13-17H2,(H,24,26)(H2,23,27,28)
InChIKeyWVGYMQGBLQFWFH-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.52
Rot. Bonds9

About 4-(3-piperidin-1-ylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide

4-(3-piperidin-1-ylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide (PubChem CID 177234140) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is 4-(3-piperidin-1-ylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(3-piperidin-1-ylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
PubChem CID177234140
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Name4-(3-piperidin-1-ylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccc(OCCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C22H29N3O4S/c23-30(27,28)21-11-5-18(6-12-21)17-24-22(26)19-7-9-20(10-8-19)29-16-4-15-25-13-2-1-3-14-25/h5-12H,1-4,13-17H2,(H,24,26)(H2,23,27,28)
InChIKeyWVGYMQGBLQFWFH-UHFFFAOYSA-N
XLogP2.52
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(3-piperidin-1-ylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[[4-(3-piperidin-1-ylpropoxy)phenyl]methylamino]methyl]benzenesulfonamide
CID 177234136
4-heptoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 54783642
4-methyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide
CID 15137005
N-[(4-hydroxyphenyl)methyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;hydrochloride
CID 22137378
N-(2-piperidin-1-ylethyl)-4-sulfamoylbenzamide
CID 68595243
4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 3581074
3,4-dimethoxy-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide
CID 3078820
4-(oxolan-2-ylmethoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 46560251
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide
CID 56512355
4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 91431700
2-[4-(3-piperidin-1-ylpropoxy)phenyl]acetamide
CID 68784634
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573

Frequently Asked Questions

What is the IUPAC name of 4-(3-piperidin-1-ylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide?
The IUPAC name of 4-(3-piperidin-1-ylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide (CID 177234140) is 4-(3-piperidin-1-ylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide.
What is the SMILES notation for 4-(3-piperidin-1-ylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide?
The canonical SMILES for 4-(3-piperidin-1-ylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide is NS(=O)(=O)c1ccc(CNC(=O)c2ccc(OCCCN3CCCCC3)cc2)cc1.
What is the InChIKey of 4-(3-piperidin-1-ylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide?
The InChIKey is WVGYMQGBLQFWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c23-30(27,28)21-11-5-18(6-12-21)17-24-22(26)19-7-9-20(10-8-19)29-16-4-15-25-13-2-1-3-14-25/h5-12H,1-4,13-17H2,(H,24,26)(H2,23,27,28).
What are the key properties of 4-(3-piperidin-1-ylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide?
4-(3-piperidin-1-ylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide has a molecular weight of 431.56 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperidin-1-ylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide is sourced from PubChem (CID 177234140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).